2-[3-[2-(3,4,5-triphenylpyrazol-1-yl)ethyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[2-(3,4,5-triphenylpyrazol-1-yl)ethyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[2-(3,4,5-triphenylpyrazol-1-yl)ethyl]phenoxy]acetic acid CAS Name: 2-[3-[2-(3,4,5-triphenyl-1-pyrazolyl)ethyl]phenoxy]acetic acid IUPAC Name: 2-[3-[2-(3,4,5-triphenylpyrazol-1-yl)ethyl]phenoxy]acetic acid Traditional Name: 2-[3-[2-(3,4,5-triphenylpyrazol-1-yl)ethyl]phenoxy]acetic acid Formula: C31H26N2O3 MolecularWeight: 474.54974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCC4=CC(=CC=C4)OCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCC4=CC(=CC=C4)OCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C31H26N2O3/c34-28(35)22-36-27-18-10-11-23(21-27)19-20-33-31(26-16-8-3-9-17-26)29(24-12-4-1-5-13-24)30(32-33)25-14-6-2-7-15-25/h1-18,21H,19-20,22H2,(H,34,35)